Nitrol
AlkaPlorer ID: AK321028
Synonym: None
IUPAC Name: 1-nitronaphthalene
Structure
SMILES: O=[N+]([O-])C1=CC=CC2=CC=CC=C12
InChI: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 173.171
TPSA？: 43.14
MolLogP？: 2.748000000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Histone acetyltransferase KAT8 | IC50 | 1000000.0 | nM | 10.1016/j.ejmech.2017.05.015 |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 42163.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 54482.7 | nM | None |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | Activity | -0.61 | None | 10.1021/jm00106a046 |
| None | Molecular identity unknown | Potency | 74978.0 | nM | None |
| None | No relevant target | LogP | 3.19 | None | 10.1021/jm00106a046 |